1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

Catalog No. :: ACKJSV814
CAS No. :: 2417548-76-4
Molecular Formula :: C50H48N12O4
Molecular Weight :: 881.01

IUPAC Name:1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one structure diagram

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Product Name	1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
IUPAC Name	1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one
Molecular Formula	C50H48N12O4
Molecular Weight	881.01
SMILES	C=CC(=O)N1CCC[C@@H](N2N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C3=C2N=CN(CCC(=O)N2CCC[C@@H](N4N=C(C5=CC=C(OC6=CC=CC=C6)C=C5)C5=C4N=CN=C5N)C2)C3=N)C1
InChI Key	BDBRPLQKDJWEDP-LQFQNGICSA-N
Synonym	Ibrutinib Impurity 14;2-Propen-1-one, 1-[(3R)-3-[5-[3-[(3R)-3-[4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-3-oxopropyl]-4,5-dihydro-4-imino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]-1-piperidinyl]-;Ibrutinib Impurity 12Q: What is Ibrutinib Impurity 12 Q: What is the CAS Number of Ibrutinib Impurity 12;Irotinib impurity D;1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3, 4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4- phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-;1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one (Ibrutinib Impurity）;isopropyl 4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine-1-carboxylate
CAS No.	2417548-76-4

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ACKJSV8142417548-76-4

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ACKJSV8142417548-76-4

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1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

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1. ACKJSV814 Molecular Building Block Synthetic Route

2. ACKJSV814 Molecular Building Block Synthetic Route

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1-((R)-3-(5-(3-((R)-3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

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Synthetic Route by SureRoute

1-(4-(5-(3-(4-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-3-oxopropyl)-4-imino-3-(4-phenoxyphenyl)-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)-2-methylprop-2-en-1-one (Ibrutinib Impurity)

(R)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

(S)-1-(3-(4-Amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidin-1-yl)prop-2-en-1-one

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